Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GALR2 | O43603 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8594931 | 0.82 | TSHR (0.44) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL8091014 | 0.79 | TDP1 (0.44) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL8415102 | 0.77 | TSHR (0.51) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL2519558 | 0.76 | TSHR (0.55) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL9121102 | 0.75 | CYP1A2 (0.57) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL15527796 | 0.72 | TSHR (0.41) | TSHRALDH1A1TDP1CYP3A4GPR35 | |
| SCHEMBL2581016 | 0.71 | CYP1A2 (0.62) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL8365288 | 0.70 | CYP1A2 (0.47) | TSHRALDH1A1TDP1CYP1A2CCR6 | |
| SCHEMBL11042004 | 0.69 | TDP1 (0.37) | TSHRALDH1A1TDP1 | |
| SCHEMBL2224314 | 0.68 | GPR35 (0.59) | TSHRALDH1A1TDP1CYP1A2GPR35 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4451681-A | Methods of preparing pentanitrotoluene | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-05-29 | — | — | US | claimed |
| US-4426539-A | Synthesis of the isomeric aminotetranitrotoluenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-01-17 | — | — | US | claimed |
| US-4451681-A | Methods of preparing pentanitrotoluene | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-05-29 | — | — | US | disclosed |
| US-4426539-A | Synthesis of the isomeric aminotetranitrotoluenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-01-17 | — | — | US | disclosed |
| US-4426539-A | Synthesis of the isomeric aminotetranitrotoluenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-01-17 | — | — | US | disclosed |